NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4187 8.3344 115.3034 57.6979 63.6479 173.1312 8 D 4.5533 8.5183 126.6440 53.1801 42.3908 173.7099 9 F 5.2878 8.5034 117.2555 55.5544 41.9776 173.2169 10 V 4.5060 8.7010 111.7584 59.4854 35.4928 174.8927 11 V 4.8790 8.7354 123.2365 61.2718 34.1416 174.4222 12 I 4.9317 8.6554 127.8361 59.4178 40.7808 174.0439 13 K 5.0415 9.3338 128.8662 54.2516 34.6629 175.1428 14 A 4.3988 8.7321 129.7874 51.8557 19.5019 177.4107 15 L 4.7930 8.1488 120.8557 53.6868 42.8396 176.1826 16 E 4.7986 7.6428 114.2845 55.6559 31.2931 175.7370 17 D 4.4822 8.5988 120.4383 55.8795 41.4137 176.7491 18 G 3.8551 8.5319 110.4602 45.7035 0.0000 173.9969 19 V 3.9224 7.4794 118.9573 62.9475 33.0729 174.5462 20 N 5.3605 9.1589 122.7942 51.3861 42.1222 173.5047 21 V 4.5918 8.8333 124.2538 61.3944 33.6261 174.1072 22 I 4.7054 8.5926 129.8543 59.3981 39.7545 174.9930 23 G 4.2333 8.5942 114.0575 44.7485 0.0000 172.3002 24 L 5.5045 8.5921 125.0326 52.8718 43.8964 176.2547 25 T 4.5006 8.8112 115.1989 62.0239 69.0626 174.2629 26 R 4.3254 7.7650 126.1770 56.7644 31.0198 174.9749 27 G 3.7328 8.7280 108.7602 44.0900 0.0000 173.2861 28 A 4.0839 8.6369 121.2604 54.2532 18.6357 177.7084 29 D 4.9399 7.8268 114.2373 52.9990 43.1552 175.9636 30 T 4.6671 8.2102 117.0154 62.2008 71.2411 173.4616 31 R 4.6815 8.5585 124.5470 54.2674 35.5040 174.6167 32 F 5.1924 8.6235 120.1333 58.1936 39.1360 175.1874 33 H 4.9865 8.8026 118.3087 55.6427 29.9138 173.7399 34 H 4.5822 7.4686 116.4436 55.5377 33.1821 172.3874 35 S 4.7371 8.2104 118.9569 56.5633 64.8177 172.2398 36 E 4.4601 9.1371 129.8905 54.6061 31.1426 174.5334 37 K 4.7859 8.5894 128.5751 55.5685 33.7002 175.4061 38 L 4.9606 8.8330 127.4847 53.0331 44.6434 176.1023 39 D 4.9044 9.5544 123.9508 53.0753 42.6513 175.9888 40 K 4.0277 9.0636 122.5537 58.4337 32.3968 177.3865 41 G 3.9779 8.9562 114.7112 45.0243 0.0000 172.9589 42 E 4.4875 8.0670 119.8778 55.3636 31.3531 175.3519 43 V 4.8493 8.3078 122.7919 61.0194 34.0372 174.2425 44 L 4.7030 8.9240 129.8084 53.3170 44.5916 174.7559 45 I 4.9244 8.4548 126.8879 59.6671 38.8800 174.8614 46 A 4.7131 8.7447 128.8432 50.1909 22.1318 175.2832 47 Q 4.8676 8.6334 120.4892 54.7018 31.1427 175.1508 48 F 4.7796 8.3343 120.2839 57.2661 39.4392 175.6153 49 T 4.8471 8.5528 114.8159 59.7790 71.4363 173.8534 50 E 4.0458 8.8869 120.4844 58.9500 29.9829 177.4698 51 H 4.6154 7.8318 114.9671 55.9240 30.5005 173.8011 52 T 5.0421 8.1402 116.3879 61.9145 71.1036 174.3474 53 S 4.8869 9.0488 120.5116 57.9386 64.7774 173.4281 54 A 5.0012 7.8510 121.3426 51.2594 22.4571 175.4388 55 I 5.1249 8.5854 121.0355 59.3405 41.1362 174.6677 56 K 4.5957 8.9505 127.1757 54.5222 35.0008 174.5951 57 V 4.7580 8.3974 126.5845 61.0714 33.6642 174.4047 58 R 4.4745 8.9615 127.8810 55.6123 32.8073 175.1542 59 G 3.9406 9.0492 111.3270 44.0916 0.0000 172.4406 60 K 5.1101 9.7577 120.1391 55.1227 32.7512 175.4693 61 A 5.2023 8.8646 129.0650 50.3393 23.2827 173.5779 62 Y 4.8605 9.1865 122.1281 56.2992 40.8682 174.5213 63 I 5.5676 7.7210 126.5051 58.6049 41.1335 174.5161 64 Q 4.8781 8.4162 123.9103 54.4422 32.9438 174.3110 65 T 4.6628 8.5543 113.2435 59.4333 72.2355 174.4639 66 R 3.8007 8.5596 120.4126 59.7489 29.8446 176.6794 67 H 4.6339 8.2816 112.3352 55.4133 29.3504 174.4301 68 G 3.7227 7.2598 106.9548 44.2060 0.0000 173.3139 69 V 4.6717 7.7484 112.7790 60.2530 34.2820 175.5038 70 I 4.3070 7.7746 119.4638 60.3341 41.6522 173.1064 71 E 5.1620 8.8544 128.2464 54.9525 31.8503 175.2240 72 S 4.9050 8.6639 116.8196 56.8632 65.8438 172.8422 73 E 5.0179 8.7408 120.6421 54.6560 32.6740 175.1694 74 G 4.3026 8.7628 110.1211 44.3545 0.0000 172.6039 75 K 4.2417 8.3154 121.0656 56.4753 32.4765 175.9277 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 7 S 8.33 4.42 0.00 3.92 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.52 4.55 0.00 2.94 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.50 5.29 0.00 3.03 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.70 4.51 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.86 0.00 0.00 11 V 8.74 4.88 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.10 0.00 0.00 12 I 8.66 4.93 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.65 0.91 0.00 0.00 13 K 9.33 5.04 0.00 1.85 1.84 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.38 7.81 14 A 8.73 4.40 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.15 4.79 0.00 1.76 1.67 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.64 4.80 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 17 D 8.60 4.48 0.00 2.69 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.53 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.48 3.92 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.05 0.00 0.00 20 N 9.16 5.36 0.00 2.55 2.55 0.00 0.00 6.64 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.83 4.59 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.89 0.00 0.00 22 I 8.59 4.71 1.43 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.41 -0.01 0.00 0.00 23 G 8.59 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.59 5.50 0.00 1.97 1.71 1.20 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.81 4.50 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 26 R 7.76 4.33 0.00 1.90 1.99 0.00 3.18 0.00 0.00 3.07 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.43 0.00 27 G 8.73 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.64 4.08 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 7.83 4.94 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.21 4.67 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 31 R 8.56 4.68 0.00 1.72 1.76 0.00 3.13 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 32 F 8.62 5.19 0.00 2.88 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.80 4.99 0.00 3.15 3.47 0.00 5.79 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.47 4.58 0.00 3.26 3.01 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.21 4.74 0.00 3.71 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.14 4.46 0.00 2.18 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 37 K 8.59 4.79 0.00 1.77 1.67 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.44 7.81 38 L 8.83 4.96 0.00 1.57 1.52 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.55 4.90 0.00 2.55 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 9.06 4.03 0.00 1.67 1.82 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.40 7.81 41 G 8.96 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.07 4.49 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 43 V 8.31 4.85 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.95 0.00 0.00 44 L 8.92 4.70 0.00 1.75 1.46 0.90 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.45 4.92 1.75 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.74 0.74 0.00 0.00 46 A 8.74 4.71 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.63 4.87 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.83 0.00 0.00 0.00 0.00 0.00 2.59 2.43 0.00 48 F 8.33 4.78 0.00 2.98 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.55 4.85 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 50 E 8.89 4.05 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.26 0.00 51 H 7.83 4.62 0.00 3.42 3.20 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.14 5.04 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 53 S 9.05 4.89 0.00 3.85 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.85 5.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.59 5.12 1.83 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.72 0.84 0.00 0.00 56 K 8.95 4.60 0.00 1.80 1.50 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.17 1.29 7.81 57 V 8.40 4.76 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.89 0.00 0.00 58 R 8.96 4.47 0.00 1.85 1.66 0.00 3.09 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 59 G 9.05 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.76 5.11 0.00 2.06 1.73 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.25 7.81 61 A 8.86 5.20 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 9.19 4.86 0.00 3.07 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.72 5.57 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.23 0.86 0.00 0.00 64 Q 8.42 4.88 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.62 0.00 0.00 0.00 0.00 0.00 2.14 2.30 0.00 65 T 8.55 4.66 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 66 R 8.56 3.80 0.00 1.60 1.81 0.00 3.15 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 67 H 8.28 4.63 0.00 3.18 3.28 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.26 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.75 4.67 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.96 0.00 0.00 70 I 7.77 4.31 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.07 0.84 0.00 0.00 71 E 8.85 5.16 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 72 S 8.66 4.91 0.00 3.88 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.74 5.02 0.00 1.82 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 74 G 8.76 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.32 4.24 0.00 1.67 1.61 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.43 7.81